ChemSpider 2D Image | Methyl (2S)-amino(2,3,6-trifluorophenyl)acetate | C9H8F3NO2

Methyl (2S)-amino(2,3,6-trifluorophenyl)acetate

  • Molecular FormulaC9H8F3NO2
  • Average mass219.161 Da
  • Monoisotopic mass219.050720 Da
  • ChemSpider ID73998470

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S)-Amino(2,3,6-trifluorophényl)acétate de méthyle [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-amino-2,3,6-trifluoro-, methyl ester, (αS)- [ACD/Index Name]
Methyl (2S)-amino(2,3,6-trifluorophenyl)acetate [ACD/IUPAC Name]
Methyl-(2S)-amino(2,3,6-trifluorphenyl)acetat [German] [ACD/IUPAC Name]
MFCD22674662

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 226.0±35.0 °C at 760 mmHg
    Vapour Pressure: 0.1±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 46.3±3.0 kJ/mol
    Flash Point: 90.5±25.9 °C
    Index of Refraction: 1.486
    Molar Refractivity: 45.7±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.30
    ACD/LogD (pH 5.5): 0.69
    ACD/BCF (pH 5.5): 1.64
    ACD/KOC (pH 5.5): 39.45
    ACD/LogD (pH 7.4): 1.03
    ACD/BCF (pH 7.4): 3.59
    ACD/KOC (pH 7.4): 86.43
    Polar Surface Area: 52 Å2
    Polarizability: 18.1±0.5 10-24cm3
    Surface Tension: 38.8±3.0 dyne/cm
    Molar Volume: 159.3±3.0 cm3

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